Molecular Docking of Resveratrol Against Potential Molecular Targets in Alzheimer's Disease
Effect of Molecular Targets in Alzheimer's Disease
Alzheimer's disease is a neurological anomaly characterized by the production of neurotoxic proteins which interact adversely with neurons, leading to degeneration. The literature shows that acetylcholinesterase, butyryl cholinesterase, amyloid precursor protein, beta-secretase, presenilin-I, glycogen synthase-kinase, muscarinic-acetylcholine receptor and gamma-secretase are fundamental molecular drug targets implicated in neurodegeneration. The role of a novel phytochemical, resveratrol is widely explored as a cure for AD. However, its exact molecular drug-target specificity within this disease still needs to be elucidated. The present study was designed to evaluate resveratrol computationally, using PatchDock against alzheimer's molecular drug targets in comparison with commonly prescribed drugs. The results revealed a remarkable activity for resveratrol against all drug targets: hydrogen and covalent bonds were formed with slight hydrophobic interactions in the active site residues, whereas the influence of anti- alzheimer drugs was recorded to be attenuate towards these targets. LigRMSD of resveratrol docked complexes showed an adequate level of stability from the reference ligand structure. Our findings indicate that resveratrol is a stable and versatile drug molecule, and should be subjected to further in vitro analysis and possible drug development.